DESIGN OF HYDROXY XANTHONES DERIVATIVES AS ANTICANCER USING QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP

Authors

  • Emmy Yuanita Laboratory of Organic Chemistry, Department of Chemistry, Universitas Gadjah Mada, Yogyakarta, Indonesia
  • Harno Dwi Pranowo Austrian-Indonesian Centre (AIC) for Computational Chemistry, Department of Chemistry, Univesitas Gadjah Mada, Yogyakarta, Indonesia
  • Jumina Jumina Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Yogyakarta
  • Mustofa Mustofa Faculty of Medicine, Universitas Gadjah Mada, Yogyakarta, Indonesia

Abstract

ABSTRACT
Objective: The objective of the research is to design a new hydroxy xanthone derivative has anticancer activity using quantitative structure-activity
relationship (QSAR).
Methods: The QSAR designed new compounds were calculated by parameterized model 3 methods and analysis of multi-linear regression (MLR).
Result: The result showed that the best model as follows:
LogIC
= –9.132 qC1 + 28.853 qC5 + 2.456 qC6 – 7.375 qC10 – 5.112 qC11 + 3.900
This result has appropriate some statistical parameters (n=24; PRESS=0.999; r
50
2
=0.782; SEE=0. 235; R=0. 885; F
cal
/F
Conclusion: This Model could be used to design of halogen-substituted hydroxy xanthone scaffold and predict their inhibitory concentration (IC
tab
=4.68).
) as
anticancer in the range of 0.001 - 0.484 μM.
Keywords: Anticancer, Quantitative structure-activity relationship, Xanthone.
50

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Author Biography

Emmy Yuanita, Laboratory of Organic Chemistry, Department of Chemistry, Universitas Gadjah Mada, Yogyakarta, Indonesia

Departement chemistry

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Published

01-03-2016

How to Cite

Yuanita, E., H. D. Pranowo, J. Jumina, and M. Mustofa. “DESIGN OF HYDROXY XANTHONES DERIVATIVES AS ANTICANCER USING QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP”. Asian Journal of Pharmaceutical and Clinical Research, vol. 9, no. 2, Mar. 2016, pp. 180-5, https://mail.innovareacademics.in/journals/index.php/ajpcr/article/view/10341.

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